data_global _chemical_name_mineral 'Bismite' loop_ _publ_author_name 'Malmros G' _journal_name_full 'Acta Chemica Scandinavica' _journal_volume 24 _journal_year 1970 _journal_page_first 384 _journal_page_last 396 _publ_section_title ; The crystal structure of alpha-Bi2O3 ; _database_code_amcsd 0011925 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Bi2 O3' _cell_length_a 5.8486 _cell_length_b 8.1661 _cell_length_c 7.5097 _cell_angle_alpha 90 _cell_angle_beta 113.00 _cell_angle_gamma 90 _cell_volume 330.153 _exptl_crystal_density_diffrn 9.374 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Bi1 0.52400 0.18310 0.36130 ? Bi2 0.04090 0.04250 0.77620 ? O1 0.78000 0.30000 0.71000 0.01140 O2 0.24200 0.04400 0.13400 0.01520 O3 0.27100 0.02400 0.51300 0.01013 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Bi1 0.00617 0.00912 0.00750 0.00145 0.00226 -0.00043 Bi2 0.00661 0.00608 0.00968 -0.00045 0.00368 0.00043